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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50078150'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078150
PNG
(CHEMBL3417581)
Show SMILES OC(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078150
PNG
(CHEMBL3417581)
Show SMILES OC(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.30E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay in presence of 1% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair